4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide

C20H22N4O4S — CID 42921804

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H22N4O4S/c1-14(16-9-5-10-17(13-16)29(21,26)27)22-18(25)11-6-12-19-23-20(24-28-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyJDEGXNUBIHIYEJ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.58
Rot. Bonds8

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide (PubChem CID 42921804) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
PubChem CID42921804
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H22N4O4S/c1-14(16-9-5-10-17(13-16)29(21,26)27)22-18(25)11-6-12-19-23-20(24-28-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)(H2,21,26,27)
InChIKeyJDEGXNUBIHIYEJ-UHFFFAOYSA-N
XLogP2.58
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-nitrophenyl)ethyl]butanamide
CID 55877491
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-[(1R)-1-phenylethyl]-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100755550
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55651467
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9152122
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide (CID 42921804) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide is CC(NC(=O)CCCc1nc(-c2ccccc2)no1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is JDEGXNUBIHIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14(16-9-5-10-17(13-16)29(21,26)27)22-18(25)11-6-12-19-23-20(24-28-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)(H2,21,26,27).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 414.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 42921804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).